(R)-1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethanamine - ≥97% , CAS No.608142-27-4

CAS: 608142-27-4 Cat. No.: R589635 Peso molecular: 273.35 Número EC: 864-867-4

GRADE & PURITY ≥97%

Synonyms

A930223 | (1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methanesulfonyl-ethylamine | BXUJVINGXQGNFD-JTQLQIEISA-N | (R)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethan-1-amine | (R)-1-(3-Ethoxy-4-methoxyphenyl)-2-methylsulfonylethylamine | BS-51422 | (1R)-1-(3-

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

A930223 | (1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methanesulfonyl-ethylamine | BXUJVINGXQGNFD-JTQLQIEISA-N | (R)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethan-1-amine | (R)-1-(3-Ethoxy-4-methoxyphenyl)-2-methylsulfonylethylamine | BS-51422 | (1R)-1-(3-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CCOC1=C(C=CC(=C1)C(CS(=O)(=O)C)N)OC
• IUPAC Name: (1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethanamine
• InChIKey: BXUJVINGXQGNFD-JTQLQIEISA-N
• INCHI: 1S/C12H19NO4S/c1-4-17-12-7-9(5-6-11(12)16-2)10(13)8-18(3,14)15/h5-7,10H,4,8,13H2,1-3H3/t10-/m0/s1
• Isómeros SMILES: CCOC1=C(C=CC(=C1)[C@H](CS(=O)(=O)C)N)OC
• Peso molecular: 273.35
• Reaxy-Rn: 13730415
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13730415&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Aralkylamines Alkyl aryl ethers Sulfones Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Sulfonyl - Sulfone - Ether - Organic nitrogen compound - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 273.350 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 273.103 Da
• Monoisotopic Mass: 273.103 Da
• Topological Polar Surface Area: 87.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 338.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1